1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine

C12H22F3NO — CID 103169305

IUPAC1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine
SMILESCCOC1CC(CC(N)CCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-2-17-11-7-9(8-11)6-10(16)4-3-5-12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyWICWKGPCQDTCNT-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine

1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine (PubChem CID 103169305) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine
PubChem CID103169305
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine
SMILESCCOC1CC(CC(N)CCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-2-17-11-7-9(8-11)6-10(16)4-3-5-12(13,14)15/h9-11H,2-8,16H2,1H3
InChIKeyWICWKGPCQDTCNT-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
4-Propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174262593
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
4-Propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61748328
2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 61748889
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61751075
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61751249

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine (CID 103169305) is 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine is CCOC1CC(CC(N)CCCC(F)(F)F)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine?
The InChIKey is WICWKGPCQDTCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-17-11-7-9(8-11)6-10(16)4-3-5-12(13,14)15/h9-11H,2-8,16H2,1H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine?
1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 103169305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).